 40 
 
   C   -2.199236504   -0.634023938   -0.710968787 
   C   -3.067367532   -1.179671218   -1.670964602 
   C   -3.786801223   -2.351382607   -1.412302590 
   C   -3.665902517   -3.004111270   -0.182696086 
   C   -2.842769089   -2.446430876    0.798422202 
   C   -2.124040110   -1.275599106    0.539028851 
   C   -4.465570160   -4.239595066    0.105676683 
   C   -1.427482662    0.660364453   -0.952268628 
   N   -0.103418787    0.587928309   -0.356130080 
   C   -1.176553719    0.976173959   -2.410184380 
   C   -1.467915457    2.148435561   -2.992623139 
   C    0.478223173    1.681985045    0.239581535 
   O   -0.077327350    2.761452628    0.397537666 
   C    1.884100830    1.517061849    0.697389028 
   C    2.704244822    2.653864946    0.737269672 
   C    4.028875287    2.541719010    1.180544397 
   C    4.545504161    1.306604336    1.593666514 
   C    3.711210270    0.181396403    1.561463671 
   C    2.382345826    0.277945898    1.119418028 
   N    4.231535536   -1.121274426    1.999463166 
   O    5.371958353   -1.152215509    2.478343285 
   O    3.495962354   -2.106932374    1.855813819 
   N    4.887222623    3.733473199    1.210506725 
   O    5.993301376    3.625916548    1.756187892 
   O    4.455912681    4.766600089    0.683407410 
   H   -3.207685455   -0.696005234   -2.635488757 
   H   -4.450146513   -2.745898209   -2.179235446 
   H   -2.761073737   -2.914382231    1.777133993 
   H   -1.510122490   -0.857365256    1.334446823 
   H   -4.629757017   -4.820465620   -0.808035957 
   H   -3.939044593   -4.889270505    0.812738465 
   H   -5.436225331   -3.966636290    0.530951755 
   H   -1.996590543    1.471623723   -0.480752564 
   H    0.452703696   -0.211095451   -0.620706657 
   H   -0.732171681    0.190497166   -3.017237336 
   H   -1.263663231    2.316770646   -4.045183427 
   H   -1.901651920    2.969132252   -2.427260183 
   H    2.298047036    3.616069298    0.422403591 
   H    5.576391332    1.224065169    1.937159235 
   H    1.734976886   -0.596718938    1.133483829 
